6FE3

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439

Summary for 6FE3

• Entry DOI: 10.2210/pdb6fe3/pdb
• Related: 6FDI 6FDS 6FDW 6FDX
• Descriptor: Phosphodiesterase, GUANIDINE, 1-(2-{4-[(4aS,8aR)-4-[3,4-bis(difluoromethoxy)phenyl]-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)-4,4-dimethylpiperidine-2,6-dione, ... (8 entities in total)
• Functional Keywords: parasitic phosphodiesterase, hydrolase, african trypanosomiasis, sleeping sickness
• Biological source: Trypanosoma brucei
• Total number of polymer chains: 2
• Total formula weight: 83014.68

Authors

Singh, A.K.,Brown, D.G. (deposition date: 2017-12-28, release date: 2019-04-10)

• Primary citation: Salado, I.G.,Moreno, C.,Sakaine, G.,Singh, A.K.,Blaazer, A.R.,Siderius, M.,Matheeussen, A.,Gul, S.,Maes, L.,Leurs, R.,Brown, D.G.,Augustyns, K.; TbrPDEB1 structure with inhibitor NPD-1439; To be published,

Experimental method

X-RAY DIFFRACTION (1.62 Å)